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113395-50-9 | L-Isoleucine, N-D-isoleucyl- (9CI)
CAS No: 113395-50-9 Catalog No: AG0008FC MDL No:
Product Description
Catalog Number:
AG0008FC
Chemical Name:
L-Isoleucine, N-D-isoleucyl- (9CI)
CAS Number:
113395-50-9
Molecular Formula:
C12H24N2O3
Molecular Weight:
244.3306
IUPAC Name:
2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoic acid
InChI:
InChI=1S/C12H24N2O3/c1-5-7(3)9(13)11(15)14-10(12(16)17)8(4)6-2/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
InChI Key:
BCVIOZZGJNOEQS-UHFFFAOYSA-N
SMILES:
CC[C@H]([C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)O)N)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.335g/mol
Monoisotopic Mass:
244.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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